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{
"id": "mp-1147557",
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{
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{
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"formula_full": "Sr2 Cu1 Pt1 O2",
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},
{
"id": "mp-1147554",
"created_at": "2022-09-04T14:40:25.226274Z",
"structure_string": "Li2 La2 S2 O2\n1.0\n4.021412 0.000000 0.000000\n0.000000 4.021412 0.000000\n0.000000 0.000000 8.772094\nLi La S O\n2 2 2 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.858217 La\n0.500000 0.000000 0.141783 La\n0.500000 0.000000 0.661238 S\n0.000000 0.500000 0.338762 S\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"formula_full": "Li2 La2 S2 O2",
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{
"id": "mp-1147553",
"created_at": "2022-09-04T14:40:00.042096Z",
"structure_string": "K1 Cu1 I1 O6\n1.0\n2.577251 -4.463929 0.000000\n2.577251 4.463929 0.000000\n0.000000 0.000000 6.198221\nK Cu I O\n1 1 1 6\ndirect\n0.000000 0.000000 0.000000 K\n0.333333 0.666667 0.500000 Cu\n0.666667 0.333333 0.500000 I\n0.385434 0.009648 0.675583 O\n0.990352 0.375785 0.675583 O\n0.624215 0.614566 0.675583 O\n0.990352 0.614566 0.324417 O\n0.624215 0.009648 0.324417 O\n0.385434 0.375785 0.324417 O\n",
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"volume": 142.61691834204467,
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"spacegroup": 149
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{
"id": "mp-1147552",
"created_at": "2022-09-04T14:46:51.843248Z",
"structure_string": "Sr1 Nb2 Cu1 O7\n1.0\n-1.985987 1.985987 9.238931\n1.985987 -1.985987 9.238931\n1.985987 1.985987 -9.238931\nSr Nb Cu O\n1 2 1 7\ndirect\n0.000000 0.000000 0.000000 Sr\n0.615368 0.615368 0.000000 Nb\n0.384632 0.384632 0.000000 Nb\n0.750000 0.250000 0.500000 Cu\n0.719894 0.719894 0.000000 O\n0.606439 0.106439 0.500000 O\n0.893561 0.393561 0.500000 O\n0.280106 0.280106 0.000000 O\n0.099390 0.599390 0.500000 O\n0.400610 0.900610 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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],
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"density": 5.114890177305804,
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"volume": 145.75871053838503,
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"formula_full": "Sr1 Nb2 Cu1 O7",
"formula_reduced": "SrNb2CuO7",
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"energy": -90.31911528,
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},
{
"id": "mp-1147551",
"created_at": "2022-09-04T14:45:15.521386Z",
"structure_string": "K1 Cu1 Te1 O6\n1.0\n2.553924 -4.423527 0.000000\n2.553924 4.423527 0.000000\n0.000000 0.000000 6.195512\nK Cu Te O\n1 1 1 6\ndirect\n0.000000 0.000000 0.000000 K\n0.333333 0.666667 0.500000 Cu\n0.666667 0.333333 0.500000 Te\n0.375611 0.995936 0.676215 O\n0.004064 0.379675 0.676215 O\n0.620325 0.624389 0.676215 O\n0.004064 0.624389 0.323785 O\n0.620325 0.995936 0.323785 O\n0.375611 0.379675 0.323785 O\n",
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],
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"volume": 139.98575691786814,
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"formula_full": "K1 Cu1 Te1 O6",
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{
"id": "mp-1147550",
"created_at": "2022-09-04T14:39:42.667501Z",
"structure_string": "Ba2 Zn3 P2 O2\n1.0\n4.073152 0.000000 -0.851909\n-0.178178 4.069253 -0.851909\n0.031040 0.032429 10.311659\nBa Zn P O\n2 3 2 2\ndirect\n0.592010 0.592010 0.184020 Ba\n0.407990 0.407990 0.815980 Ba\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.178704 0.178704 0.357408 P\n0.821296 0.821296 0.642592 P\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
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],
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"volume": 171.1375639238263,
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"formula_full": "Ba2 Zn3 P2 O2",
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"spacegroup": 139
},
{
"id": "mp-1147549",
"created_at": "2022-09-04T14:47:07.236682Z",
"structure_string": "Ba4 Ca1 Bi3 O12\n1.0\n-4.380565 4.380565 4.380565\n4.380565 -4.380565 4.380565\n4.380565 4.380565 -4.380565\nBa Ca Bi O\n4 1 3 12\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.000000 0.000000 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n0.000000 0.500000 0.500000 Bi\n0.739824 0.000000 0.739824 O\n0.750000 0.250000 0.500000 O\n0.739824 0.739824 0.000000 O\n0.500000 0.250000 0.750000 O\n0.750000 0.500000 0.250000 O\n0.250000 0.750000 0.500000 O\n0.000000 0.739824 0.739824 O\n0.000000 0.260176 0.260176 O\n0.260176 0.000000 0.260176 O\n0.250000 0.500000 0.750000 O\n0.500000 0.750000 0.250000 O\n0.260176 0.260176 0.000000 O\n",
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"formula_full": "Ba4 Ca1 Bi3 O12",
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"spacegroup": 229
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{
"id": "mp-1147547",
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"structure_string": "Sr2 Ta1 Al1 O6\n1.0\n3.965652 0.000000 0.000000\n0.000000 3.965652 0.000000\n0.000000 0.000000 7.888605\nSr Ta Al O\n2 1 1 6\ndirect\n0.000000 0.000000 0.715674 Sr\n0.000000 0.000000 0.284326 Sr\n0.500000 0.500000 0.000000 Ta\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.749210 O\n0.500000 0.500000 0.250790 O\n",
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"volume": 124.05932442235034,
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"formula_full": "Sr2 Ta1 Al1 O6",
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"spacegroup": 123
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{
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"created_at": "2022-09-04T14:45:59.303812Z",
"structure_string": "Sr2 Ti2 Cu2 O8\n1.0\n3.954676 0.000000 0.000000\n0.000000 3.954676 0.000000\n0.000000 0.000000 11.093411\nSr Ti Cu O\n2 2 2 8\ndirect\n0.750000 0.750000 0.126776 Sr\n0.250000 0.250000 0.873224 Sr\n0.750000 0.750000 0.728890 Ti\n0.250000 0.250000 0.271110 Ti\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.750000 0.750000 0.898774 O\n0.250000 0.250000 0.101226 O\n0.750000 0.750000 0.526259 O\n0.250000 0.250000 0.473741 O\n0.750000 0.250000 0.722465 O\n0.250000 0.750000 0.722465 O\n0.250000 0.750000 0.277535 O\n0.750000 0.250000 0.277535 O\n",
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"volume": 173.49498272436966,
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{
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"created_at": "2022-09-04T14:45:40.987515Z",
"structure_string": "Rb2 Pd2 C8 Br2\n1.0\n-3.722410 3.722410 5.389970\n3.722410 -3.722410 5.389970\n3.722410 3.722410 -5.389970\nRb Pd C Br\n2 2 8 2\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.000000 Pd\n0.190384 0.190384 0.380767 C\n0.809617 0.809616 0.619233 C\n0.190384 0.809616 0.000000 C\n0.809616 0.190384 0.000000 C\n0.690610 0.690610 0.381220 C\n0.309390 0.309390 0.618780 C\n0.690610 0.309390 0.000000 C\n0.309390 0.690610 0.000000 C\n0.743232 0.743232 0.000000 Br\n0.256768 0.256768 0.000000 Br\n",
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